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1793

Organic Qualitative Expert System

Mario Garcia, Rajan B Gujjarlapudi, Kaushik Hatti, and Carl Steidley

Department of Computing and Mathematical Sciences Texas A&M University Corpus Christi garciam@falcon.tamucc.edu

Abstract

The idea of using a computer program to simulate a human expert ( i.e. an informant) in the Qualitative analysis of Organic compounds has been introduced lately and it is gaining popularity with the students day by day. This expert system does not intend to replace hands-on laboratory work but it does allow the student to work on a greater number of samples in a short time and allows development of problem-solving skills and development of strategies for dealing with qualitative analysis. This system should be used simultaneously with the procedures and the results obtained from lab and hence reducing the work for the student.

Introduction

One of the greatest challenges to the chemist is identifying the substances that are obtained from chemical reactions or isolated from natural sources. Although structure elucidation may be difficult and time consuming, the availability of modern spectroscopic techniques in combination with chemical methods has greatly facilitated the aspect of Organic Qualitative Analysis. The classical approach to structure elucidation involves converting an unknown liquid or solid into a solid which is known as Qualitative derivative Analysis.

Qualitative analysis is the analysis and identification of unknown organic compounds, which constitutes a very important aspect of experimental organic chemistry. There is no definite set procedure that can be generally applied to organic qualitative analysis. This system has been designed for use by the students taking the Organic Lab at Texas A& M University-Corpus Christi. The students are given 4 chemical compounds out of which the chemical formula is given for one compound, molecular weight for one, functional group for another. No data is given for the fourth unknown compound. The unknown will contain only one type of functional group. The type of functional group of the unknown will be limited to one of the following: Amines, Aldehydes, Ketones, Carboxylic acids, Halides, Alcohols and Aromatic compounds. The report offers a discussion of a prototype and the way they are constructed, along with an expert system that is used to help solve the Qualitative Analysis of Organic Compounds. This program tries to determine the possible tests on the unknowns and gives a list of compounds.

Proceedings of the 2004 American Society for Engineering Education Annual Conference & Exposition Copyright © 2004, American Society for Engineering Education

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Gujjarlapudi, R. B., & Hatti, K., & Steidley, C., & Garcia, M. (2004, June), Organic Qualitative Analysis Expert System Paper presented at 2004 Annual Conference, Salt Lake City, Utah. 10.18260/1-2--13622